[CPMD-list] Timestep with BO dynamics

[Dave Sherman]

How big can a BO dynamics timestep typically be (say for a box with  
55 H2O's).   I can just about get away with 5 AU while runnning the  
system
using CP dynamics (although I'm using 3AUs).

Thanks!

David M. Sherman
Professor of Geochemistry
Department of Earth Sciences
University of Bristol
Bristol BS8 1RJ UNITED KINGDOM
Phone: 44-(0)117-954-5446
http://mineral.gly.bris.ac.uk

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